Compound Detail
CHEMBL469559
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1cc(C)c2oc(-c3cccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)nc2c1
Basic Information
| ChEMBL ID | CHEMBL469559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUGWOYWBYPSGSI-MDZDMXLPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.4
MW (Da)
5.67
ALogP
5
HBA
1
HBD
98.3
PSA (Ų)
0.26
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NH(3)-dependent NAD(+) synthetase CHEMBL5271 | IC50 | 4.17 | 4.17 | 68000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NH(3)-dependent NAD(+) synthetase | IC50 | = | 68000.0 | nM | 4.17 | Inhibition of Bacillus anthracis NAD synthetase | 19249205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19249205 | 10.1016/j.bmcl.2009.02.034 | NH(3)-dependent NAD(+) synthetase | 1 |
| 19249205 | 10.1016/j.bmcl.2009.02.034 | Bacillus anthracis | 1 |
Data from ChEMBL 36 via Core Engine